ChemSpider 2D Image | (1beta,3beta,23S,24S,25S)-1-{[6-Deoxy-alpha-L-mannopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->4)]-alpha-L-arabinopyranosyl]oxy}-3,23-dihydroxy-15-oxospirost-5-en-24-yl 6-deoxy-beta-D-gulopyranoside | C49H76O23

(1β,3β,23S,24S,25S)-1-{[6-Deoxy-α-L-mannopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->4)]-α-L-arabinopyranosyl]oxy}-3,23-dihydroxy-15-oxospirost-5-en-24-yl 6-deoxy-β-D-gulopyranoside

  • Molecular FormulaC49H76O23
  • Average mass1033.114 Da
  • Monoisotopic mass1032.477783 Da
  • ChemSpider ID57641796

  • defined stereocentres - 32 of 32 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1β,3β,23S,24S,25S)-1-{[6-Deoxy-α-L-mannopyranosyl-(1->;2)-[β-D-xylopyranosyl-(1->4)]-α-L-arabinopyranosyl]oxy}-3,23-dihydroxy-15-oxospirost-5-en-24-yl 6-deoxy-β-D-gulopyranoside [ACD/IUPAC Name]
(1β,3β,23S,24S,25S)-1-{[6-Desoxy-α-L-mannopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->4)]-α-L-arabinopyranosyl]oxy}-3,23-dihydroxy-15-oxospirost-5-en-24-yl-6-desoxy-β-D-gulopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-β-D-gulopyranoside de (1β,3β,23S,24S,25S)-1-{[6-désoxy-α-L-mannopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->4)]-α-L-arabinopyranosyl]oxy}-3,23-dihydroxy-15-oxospirost-5-én-24- ; yle [French] [ACD/IUPAC Name]
Spirost-5-en-15-one, 24-[(6-deoxy-β-D-gulopyranosyl)oxy]-1-[[O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-[β-D-xylopyranosyl-(1->4)]-α-L-arabinopyranosyl]oxy]-3,23-dihydroxy-, (1β,3β,23S, ; 24S,25S)- [ACD/Index Name]
882661-08-7 [RN]
Ornithosaponin C

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.648
Molar Refractivity: 243.5±0.4 cm3
#H bond acceptors: 23
#H bond donors: 12
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.52
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 5.03
ACD/KOC (pH 5.5): 110.54
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 5.03
ACD/KOC (pH 7.4): 110.54
Polar Surface Area: 352 Å2
Polarizability: 96.5±0.5 10-24cm3
Surface Tension: 83.8±5.0 dyne/cm
Molar Volume: 669.2±5.0 cm3

Click to predict properties on the Chemicalize site


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